cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide

C20H24N2OS — CID 100620867

IUPACcis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](c2ccccc2)c2nccs2)C1(C)C
InChIInChI=1S/C20H24N2OS/c1-13(2)12-15-16(20(15,3)4)18(23)22-17(19-21-10-11-24-19)14-8-6-5-7-9-14/h5-12,15-17H,1-4H3,(H,22,23)/t15-,16+,17-/m1/s1
InChIKeyOCCKDBGGTURBEV-IXDOHACOSA-N
MW340.49 g/mol
LogP4.59
Rot. Bonds5

About cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide

cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 100620867) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID100620867
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](c2ccccc2)c2nccs2)C1(C)C
InChIInChI=1S/C20H24N2OS/c1-13(2)12-15-16(20(15,3)4)18(23)22-17(19-21-10-11-24-19)14-8-6-5-7-9-14/h5-12,15-17H,1-4H3,(H,22,23)/t15-,16+,17-/m1/s1
InChIKeyOCCKDBGGTURBEV-IXDOHACOSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 100620867) is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](c2ccccc2)c2nccs2)C1(C)C.
What is the InChIKey of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is OCCKDBGGTURBEV-IXDOHACOSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-13(2)12-15-16(20(15,3)4)18(23)22-17(19-21-10-11-24-19)14-8-6-5-7-9-14/h5-12,15-17H,1-4H3,(H,22,23)/t15-,16+,17-/m1/s1.
What are the key properties of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 100620867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).